Time‐Dependent Density Functional Theory of Narrow Band Gap Semiconductors Using a Screened Range‐Separated Hybrid Functional-Reference-Cited by-同舟云学术

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Time‐Dependent Density Functional Theory of Narrow Band Gap Semiconductors Using a Screened Range‐Separated Hybrid Functional

Published:2020-11-09 Issue:12 Volume:3 Page:2000220
ISSN:2513-0390
Container-title:Advanced Theory and Simulations
language:en
Short-container-title:Adv. Theory Simul.

Author:

Wing Dahvyd¹,Neaton Jeffrey B.²³⁴,Kronik Leeor¹^ORCID

Affiliation:

1. Department of Materials and Interfaces Weizmann Institute of Science Rehovoth 76100 Israel

2. Department of Physics University of California Berkeley Berkeley CA 94720 USA

3. Materials Sciences Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA

4. Kavli Energy NanoSciences Institute at Berkeley Berkeley 94720 USA

Funder

U.S. Department of Energy

Publisher

Wiley

Subject

Multidisciplinary,Modelling and Simulation,Numerical Analysis,Statistics and Probability

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/adts.202000220

Reference77 articles.

1. New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem

2. First-Principles Theory of Quasiparticles: Calculation of Band Gaps in Semiconductors and Insulators

3. Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies

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1. Screened optimally tuned range separated hybrid functional for solvated low bandgap molecular systems;The Journal of Chemical Physics;2024-07-15

2. Ultra-photostable small-molecule dyes facilitate near-infrared biophotonics;Nature Communications;2024-03-22

3. Real-Time Time-Dependent Density Functional Theory for Simulating Nonequilibrium Electron Dynamics;Journal of the American Chemical Society;2024-02-16

4. Optical absorption spectra of metal oxides from time-dependent density functional theory and many-body perturbation theory based on optimally-tuned hybrid functionals;Physical Review Materials;2023-12-05

5. Transferable screened range-separated hybrid functionals for electronic and optical properties of van der Waals materials;Physical Review Materials;2023-10-03

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